carbamothioylsulfanyl carbamodithioate;1-methylpiperazine

C7H16N4S4 — CID 175540702

IUPACcarbamothioylsulfanyl carbamodithioate;1-methylpiperazine
SMILESCN1CCNCC1.NC(=S)SSC(N)=S
InChIInChI=1S/C5H12N2.C2H4N2S4/c1-7-4-2-6-3-5-7;3-1(5)7-8-2(4)6/h6H,2-5H2,1H3;(H2,3,5)(H2,4,6)
InChIKeyJUQKCPAQWXUHQY-UHFFFAOYSA-N
MW284.50 g/mol
LogP0.38
Rot. Bonds

About carbamothioylsulfanyl carbamodithioate;1-methylpiperazine

carbamothioylsulfanyl carbamodithioate;1-methylpiperazine (PubChem CID 175540702) has the molecular formula C7H16N4S4 and a molecular weight of 284.50 g/mol. Its IUPAC name is carbamothioylsulfanyl carbamodithioate;1-methylpiperazine.

Molecular Properties

Compound Namecarbamothioylsulfanyl carbamodithioate;1-methylpiperazine
PubChem CID175540702
Molecular FormulaC7H16N4S4
Molecular Weight284.50 g/mol
Exact Mass284.03
IUPAC Namecarbamothioylsulfanyl carbamodithioate;1-methylpiperazine
SMILESCN1CCNCC1.NC(=S)SSC(N)=S
InChIInChI=1S/C5H12N2.C2H4N2S4/c1-7-4-2-6-3-5-7;3-1(5)7-8-2(4)6/h6H,2-5H2,1H3;(H2,3,5)(H2,4,6)
InChIKeyJUQKCPAQWXUHQY-UHFFFAOYSA-N
XLogP0.38
TPSA67.31 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.50
LogP ≤ 50.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

sodium;1-methylpiperazine;carbamodithioate
CID 23667321
1,4,7,10-tetramethyl-1,4,7,10,13-pentazacyclopentadecane
CID 13461315
1-methyl-1,4,7,10,13-pentazacyclopentadecane
CID 18705592
ethane;1-methylpiperazine
CID 91350928
alumane;1-methylpiperazine
CID 173336720
1-methylpiperazine;dihydrochloride
CID 2734715
1-methylpiperazine;hydrate
CID 23128681
cyclopropane;1-methylpiperazine
CID 166166790
potassium;hydride;1-methylpiperazine
CID 174652278
ethane;methane;1-methylpiperazine
CID 142051303
1-methylpiperazine;oxalonitrile
CID 174499806
manganese(2+);bis(1-methyl-1,4,7,10,13-pentazacyclopentadecane);dichloride
CID 67603621

Frequently Asked Questions

What is the IUPAC name of carbamothioylsulfanyl carbamodithioate;1-methylpiperazine?
The IUPAC name of carbamothioylsulfanyl carbamodithioate;1-methylpiperazine (CID 175540702) is carbamothioylsulfanyl carbamodithioate;1-methylpiperazine.
What is the SMILES notation for carbamothioylsulfanyl carbamodithioate;1-methylpiperazine?
The canonical SMILES for carbamothioylsulfanyl carbamodithioate;1-methylpiperazine is CN1CCNCC1.NC(=S)SSC(N)=S.
What is the InChIKey of carbamothioylsulfanyl carbamodithioate;1-methylpiperazine?
The InChIKey is JUQKCPAQWXUHQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2.C2H4N2S4/c1-7-4-2-6-3-5-7;3-1(5)7-8-2(4)6/h6H,2-5H2,1H3;(H2,3,5)(H2,4,6).
What are the key properties of carbamothioylsulfanyl carbamodithioate;1-methylpiperazine?
carbamothioylsulfanyl carbamodithioate;1-methylpiperazine has a molecular weight of 284.50 g/mol, XLogP of 0.38, 0 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for carbamothioylsulfanyl carbamodithioate;1-methylpiperazine is sourced from PubChem (CID 175540702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).